# | Line 832 | Line 832 | void SimSetup::gatherInfo(void){ | |
---|---|---|
832 | } | |
833 | } | |
834 | ||
835 | – | |
835 | for (i=0; i < nInfo; i++) { | |
836 | ||
837 | // check for the temperature set flag | |
# | Line 852 | Line 851 | void SimSetup::gatherInfo(void){ | |
851 | info[i].thermIntLambda = globals->getThermIntLambda(); | |
852 | info[i].thermIntK = globals->getThermIntK(); | |
853 | ||
854 | < | Restraints *myRestraint = new Restraints(tot_nmol, info[i].thermIntLambda, info[i].thermIntK); |
854 | > | Restraints *myRestraint = new Restraints(info[i].thermIntLambda, info[i].thermIntK); |
855 | info[i].restraint = myRestraint; | |
856 | } | |
857 | else { |
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